3-ethyl-5-methylsulfanyl-3H-pyrrole

C7H11NS — CID 175010547

IUPAC3-ethyl-5-methylsulfanyl-3H-pyrrole
SMILESCCC1C=NC(SC)=C1
InChIInChI=1S/C7H11NS/c1-3-6-4-7(9-2)8-5-6/h4-6H,3H2,1-2H3
InChIKeyFAINBRKUWQAUFD-UHFFFAOYSA-N
MW141.24 g/mol
LogP2.30
Rot. Bonds2

About 3-ethyl-5-methylsulfanyl-3H-pyrrole

3-ethyl-5-methylsulfanyl-3H-pyrrole (PubChem CID 175010547) has the molecular formula C7H11NS and a molecular weight of 141.24 g/mol. Its IUPAC name is 3-ethyl-5-methylsulfanyl-3H-pyrrole.

Molecular Properties

Compound Name3-ethyl-5-methylsulfanyl-3H-pyrrole
PubChem CID175010547
Molecular FormulaC7H11NS
Molecular Weight141.24 g/mol
Exact Mass141.06
IUPAC Name3-ethyl-5-methylsulfanyl-3H-pyrrole
SMILESCCC1C=NC(SC)=C1
InChIInChI=1S/C7H11NS/c1-3-6-4-7(9-2)8-5-6/h4-6H,3H2,1-2H3
InChIKeyFAINBRKUWQAUFD-UHFFFAOYSA-N
XLogP2.30
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.24
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-methylsulfanyl-3H-pyrrole?
The IUPAC name of 3-ethyl-5-methylsulfanyl-3H-pyrrole (CID 175010547) is 3-ethyl-5-methylsulfanyl-3H-pyrrole.
What is the SMILES notation for 3-ethyl-5-methylsulfanyl-3H-pyrrole?
The canonical SMILES for 3-ethyl-5-methylsulfanyl-3H-pyrrole is CCC1C=NC(SC)=C1.
What is the InChIKey of 3-ethyl-5-methylsulfanyl-3H-pyrrole?
The InChIKey is FAINBRKUWQAUFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NS/c1-3-6-4-7(9-2)8-5-6/h4-6H,3H2,1-2H3.
What are the key properties of 3-ethyl-5-methylsulfanyl-3H-pyrrole?
3-ethyl-5-methylsulfanyl-3H-pyrrole has a molecular weight of 141.24 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-methylsulfanyl-3H-pyrrole is sourced from PubChem (CID 175010547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).